[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine

C12H22N4S — CID 65141294

IUPAC[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSC(C)CC)n1
InChIInChI=1S/C12H22N4S/c1-4-6-10-7-11(16-13)15-12(14-10)8-17-9(3)5-2/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyBFBLKKDXCGOZTE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.75
Rot. Bonds7

About [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine

[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 65141294) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID65141294
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSC(C)CC)n1
InChIInChI=1S/C12H22N4S/c1-4-6-10-7-11(16-13)15-12(14-10)8-17-9(3)5-2/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyBFBLKKDXCGOZTE-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66145462
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
(2-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 79413062
[6-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65127690
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
CID 62594083
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol
CID 80655718
[2-(1-methoxypropyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730308
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 65141247
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62717068
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine (CID 65141294) is [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(CSC(C)CC)n1.
What is the InChIKey of [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is BFBLKKDXCGOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-6-10-7-11(16-13)15-12(14-10)8-17-9(3)5-2/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65141294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).